Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | fatty acid desaturase | 0.0522 | 0.1397 | 0.5 |
Leishmania major | delta-5 fatty acid desaturase | 0.0521 | 0.1394 | 0.0951 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0316 | 0.049 | 0.0569 |
Trypanosoma cruzi | delta-4 fatty acid desaturase, putative | 0.0317 | 0.0493 | 0.0003 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0261 | 0.0246 | 0.0286 |
Brugia malayi | Fatty acid desaturase family protein | 0.0316 | 0.049 | 0.0292 |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.2155 | 0.8603 | 0.5 |
Leishmania major | delta-6 fatty acid desaturase | 0.0317 | 0.0493 | 0.0003 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.2155 | 0.8606 | 0.8534 |
Echinococcus multilocularis | Fatty acid desaturase, type 1 | 0.0316 | 0.049 | 0.5 |
Echinococcus granulosus | Fatty acid desaturase type 1 | 0.0316 | 0.049 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0317 | 0.0493 | 1 |
Leishmania major | fatty-acid desaturase, putative | 0.2471 | 1 | 1 |
Brugia malayi | Fatty acid desaturase family protein | 0.0316 | 0.049 | 0.0292 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0316 | 0.049 | 0.0569 |
Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0316 | 0.049 | 0.5 |
Trypanosoma cruzi | delta-4 fatty acid desaturase, putative | 0.0317 | 0.0493 | 0.0003 |
Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0316 | 0.049 | 0.5 |
Onchocerca volvulus | 0.2471 | 0.9997 | 1 | |
Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0316 | 0.049 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.2155 | 0.8606 | 0.8534 |
Mycobacterium tuberculosis | Probable conserved membrane protein | 0.0317 | 0.0493 | 1 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.2471 | 1 | 1 |
Brugia malayi | Delta5 fatty acid desaturase | 0.0521 | 0.1394 | 0.1374 |
Echinococcus granulosus | Sphingolipid delta4 desaturase DES1 | 0.0316 | 0.049 | 0.5 |
Loa Loa (eye worm) | FAT-3 protein | 0.0521 | 0.1394 | 0.1621 |
Brugia malayi | acyl-CoA desaturase | 0.2155 | 0.8603 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0521 | 0.1394 | 0.1621 |
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.2155 | 0.8603 | 0.5 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.2471 | 1 | 1 |
Loa Loa (eye worm) | acyl-CoA desaturase | 0.2155 | 0.8603 | 1 |
Onchocerca volvulus | 0.2471 | 0.9997 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (ADMET) | = 20 ug ml-1 | Cytotoxicity against Cytomegalovirus infected HEL cells assessed as change in cell morphology | ChEMBL. | 19324473 |
CC50 (ADMET) | = 20 ug ml-1 | Cytotoxicity against Varicella Zoster Virus infected human HeLa cells assessed as change in cell morphology | ChEMBL. | 19324473 |
CC50 (ADMET) | = 45.2 ug ml-1 | Cytotoxicity against Cytomegalovirus infected HEL cells assessed as reduction in cell growth | ChEMBL. | 19324473 |
CC50 (ADMET) | = 45.2 ug ml-1 | Cytotoxicity against Varicella Zoster Virus infected human HeLa cells assessed as reduction in cell growth | ChEMBL. | 19324473 |
CC50 (ADMET) | = 61.63 ug ml-1 | Cytotoxicity against HIV-1 3B infected human MT4 cells | ChEMBL. | 19324473 |
CC50 (ADMET) | = 61.63 ug ml-1 | Cytotoxicity against HIV-2 ROD infected human MT4 cells | ChEMBL. | 19324473 |
MCC (functional) | = 40 ug ml-1 | Cytotoxicity against human HeLa cells assessed as change in cell morphology | ChEMBL. | 19324473 |
MCC (ADMET) | = 40 ug ml-1 | Cytotoxicity against HEL cells assessed as change in cell morphology | ChEMBL. | 19324473 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.